Computational Details. The density functional theory (DFT) calculations were performed by Vienna Ab Initio simulation package (VASP). [1]}, [2]} We adopted the Perdew-Burke-Ernzerhof (PBE) functional of the generalized gradient approximation (GGA) to describe the exchange correlation interaction.[3]} The \((1 \times \sqrt{3})\)  unit cells of In in (101) orientation were adjusted to match the \((1 \times \sqrt{3})\)  unit cell of WS\(_2\) . The k-point sampling was set to \(9 \times 15 \times 1\) . The energy cutoff and self-consistent convergence accuracy were chosen at 500 eV and 1 \(\times \)  10\(^{-6}\) . The DFT-D3 method of Grimme was used to describe the interlayer van der Waals interaction.[4]} The dipole correction was also added, and the forces on all atoms were less than 0.01 eV/\({}\)  for the structural relaxation. A 15 \({}\)  vacuum layer was chosen along the z direction to avoid the artificial interactions between adjacent layers.
